USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.0254 K(o=-4.6,f=-11!) USER MOD Set 1.2: A 77 HIS : +bothHN:sc= -2.03 K(o=-4.6,f=-14!) USER MOD Set 1.3: A 81 HIS : no HE2:sc= 1.01 K(o=-4.6,f=-14!) USER MOD Set 1.4: A 100 HIS : +bothHN:sc= -1.35! C(o=-4.6!,f=-19!) USER MOD Set 1.5: A 107 HIS : +bothHN:sc= -2.24 K(o=-4.6,f=-12!) USER MOD Set 2.1: A 102 GLN : amide:sc= -0.47 K(o=-0.58,f=-5!) USER MOD Set 2.2: A 105 GLN : amide:sc= -0.107 X(o=-0.58,f=-0.93) USER MOD Set 3.1: A 65 GLN : amide:sc= 0.435 K(o=1.2,f=-10!) USER MOD Set 3.2: A 69 LYS NZ :NH3+ -150:sc= 0.736 (180deg=-1.88!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.086 K(o=-0.086,f=-0.78) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 1.34 (180deg=1.24) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 1.01 (180deg=0.137) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0339 (180deg=-0.264) USER MOD Single : A 31 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.22) USER MOD Single : A 38 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 1.22 (180deg=1.09) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.1) USER MOD Single : A 46 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -118:sc= 0.848 (180deg=-0.0555) USER MOD Single : A 51 TYR OH : rot 150:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc=-0.000686 (180deg=-0.0489) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.052) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.22) USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.14) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 95 SER OG : rot 74:sc= 1.2 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.195 -7.850 -3.043 1.00 0.00 N ATOM 106 CA LEU A 7 -9.614 -6.902 -2.120 1.00 0.00 C ATOM 107 C LEU A 7 -8.122 -6.684 -2.413 1.00 0.00 C ATOM 108 O LEU A 7 -7.593 -5.589 -2.217 1.00 0.00 O ATOM 109 CB LEU A 7 -9.832 -7.434 -0.702 1.00 0.00 C ATOM 110 CG LEU A 7 -9.102 -6.689 0.396 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.634 -5.270 0.530 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.219 -7.441 1.714 1.00 0.00 C ATOM 0 HA LEU A 7 -10.095 -5.930 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.900 -7.410 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.524 -8.479 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.047 -6.627 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.096 -4.753 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.492 -4.738 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.696 -5.301 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.689 -6.893 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.270 -7.535 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.781 -8.434 1.607 1.00 0.00 H new ATOM 124 N LEU A 8 -7.468 -7.728 -2.912 1.00 0.00 N ATOM 125 CA LEU A 8 -6.034 -7.698 -3.216 1.00 0.00 C ATOM 126 C LEU A 8 -5.676 -6.628 -4.242 1.00 0.00 C ATOM 127 O LEU A 8 -4.556 -6.112 -4.246 1.00 0.00 O ATOM 128 CB LEU A 8 -5.576 -9.066 -3.715 1.00 0.00 C ATOM 129 CG LEU A 8 -5.390 -10.116 -2.625 1.00 0.00 C ATOM 130 CD1 LEU A 8 -5.219 -11.493 -3.235 1.00 0.00 C ATOM 131 CD2 LEU A 8 -4.188 -9.767 -1.761 1.00 0.00 C ATOM 0 H LEU A 8 -7.914 -8.622 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.516 -7.447 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.305 -9.437 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.633 -8.945 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.282 -10.127 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.088 -12.229 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.104 -11.744 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.342 -11.498 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.065 -10.524 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.292 -9.733 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.344 -8.794 -1.296 1.00 0.00 H new ATOM 143 N LYS A 9 -6.627 -6.304 -5.109 1.00 0.00 N ATOM 144 CA LYS A 9 -6.398 -5.350 -6.192 1.00 0.00 C ATOM 145 C LYS A 9 -5.927 -3.999 -5.657 1.00 0.00 C ATOM 146 O LYS A 9 -5.135 -3.317 -6.306 1.00 0.00 O ATOM 147 CB LYS A 9 -7.676 -5.159 -7.008 1.00 0.00 C ATOM 148 CG LYS A 9 -8.191 -6.433 -7.652 1.00 0.00 C ATOM 149 CD LYS A 9 -9.519 -6.188 -8.344 1.00 0.00 C ATOM 150 CE LYS A 9 -10.121 -7.471 -8.890 1.00 0.00 C ATOM 151 NZ LYS A 9 -11.524 -7.266 -9.333 1.00 0.00 N ATOM 0 H LYS A 9 -7.571 -6.690 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.614 -5.758 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.452 -4.752 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.491 -4.419 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.462 -6.801 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.308 -7.207 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.215 -5.731 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.378 -5.478 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.522 -7.828 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.089 -8.245 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.906 -8.161 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.100 -6.949 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.550 -6.545 -10.082 1.00 0.00 H new ATOM 165 N ALA A 10 -6.410 -3.621 -4.476 1.00 0.00 N ATOM 166 CA ALA A 10 -6.025 -2.352 -3.866 1.00 0.00 C ATOM 167 C ALA A 10 -4.518 -2.303 -3.610 1.00 0.00 C ATOM 168 O ALA A 10 -3.850 -1.326 -3.960 1.00 0.00 O ATOM 169 CB ALA A 10 -6.793 -2.137 -2.571 1.00 0.00 C ATOM 0 H ALA A 10 -7.066 -4.173 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.275 -1.549 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.497 -1.187 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.863 -2.122 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.571 -2.948 -1.877 1.00 0.00 H new ATOM 175 N GLU A 11 -3.987 -3.376 -3.027 1.00 0.00 N ATOM 176 CA GLU A 11 -2.553 -3.487 -2.765 1.00 0.00 C ATOM 177 C GLU A 11 -1.773 -3.480 -4.075 1.00 0.00 C ATOM 178 O GLU A 11 -0.750 -2.812 -4.198 1.00 0.00 O ATOM 179 CB GLU A 11 -2.253 -4.774 -1.985 1.00 0.00 C ATOM 180 CG GLU A 11 -2.820 -4.793 -0.570 1.00 0.00 C ATOM 181 CD GLU A 11 -1.990 -3.985 0.412 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.697 -2.815 0.175 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.578 -4.514 1.452 1.00 0.00 O ATOM 0 H GLU A 11 -4.531 -4.185 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.244 -2.630 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.656 -5.623 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.173 -4.911 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.837 -4.401 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.882 -5.824 -0.223 1.00 0.00 H new ATOM 190 N GLN A 12 -2.284 -4.212 -5.060 1.00 0.00 N ATOM 191 CA GLN A 12 -1.635 -4.319 -6.356 1.00 0.00 C ATOM 192 C GLN A 12 -1.558 -2.957 -7.050 1.00 0.00 C ATOM 193 O GLN A 12 -0.547 -2.622 -7.669 1.00 0.00 O ATOM 194 CB GLN A 12 -2.389 -5.315 -7.240 1.00 0.00 C ATOM 195 CG GLN A 12 -2.468 -6.721 -6.662 1.00 0.00 C ATOM 196 CD GLN A 12 -1.104 -7.327 -6.389 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.121 -7.006 -7.054 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.041 -8.216 -5.411 1.00 0.00 N ATOM 0 H GLN A 12 -3.152 -4.742 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.618 -4.677 -6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.401 -4.944 -7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.903 -5.361 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.040 -6.695 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.013 -7.363 -7.355 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.881 -8.454 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.153 -8.663 -5.185 1.00 0.00 H new ATOM 207 N GLN A 13 -2.632 -2.182 -6.936 1.00 0.00 N ATOM 208 CA GLN A 13 -2.697 -0.846 -7.520 1.00 0.00 C ATOM 209 C GLN A 13 -1.696 0.079 -6.844 1.00 0.00 C ATOM 210 O GLN A 13 -0.988 0.835 -7.512 1.00 0.00 O ATOM 211 CB GLN A 13 -4.117 -0.287 -7.384 1.00 0.00 C ATOM 212 CG GLN A 13 -4.311 1.078 -8.025 1.00 0.00 C ATOM 213 CD GLN A 13 -5.736 1.579 -7.906 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.570 1.344 -8.781 1.00 0.00 O ATOM 215 NE2 GLN A 13 -6.030 2.263 -6.812 1.00 0.00 N ATOM 0 H GLN A 13 -3.478 -2.460 -6.439 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.443 -0.911 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.817 -0.991 -7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.369 -0.219 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.637 1.795 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.035 1.023 -9.078 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.310 2.437 -6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.976 2.617 -6.670 1.00 0.00 H new ATOM 224 N GLY A 14 -1.640 0.002 -5.521 1.00 0.00 N ATOM 225 CA GLY A 14 -0.674 0.782 -4.773 1.00 0.00 C ATOM 226 C GLY A 14 0.746 0.471 -5.197 1.00 0.00 C ATOM 227 O GLY A 14 1.538 1.378 -5.448 1.00 0.00 O ATOM 0 H GLY A 14 -2.247 -0.588 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.873 1.844 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.789 0.579 -3.708 1.00 0.00 H new ATOM 231 N ILE A 15 1.051 -0.817 -5.315 1.00 0.00 N ATOM 232 CA ILE A 15 2.369 -1.260 -5.752 1.00 0.00 C ATOM 233 C ILE A 15 2.675 -0.767 -7.168 1.00 0.00 C ATOM 234 O ILE A 15 3.804 -0.364 -7.462 1.00 0.00 O ATOM 235 CB ILE A 15 2.493 -2.803 -5.703 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.303 -3.304 -4.270 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.843 -3.258 -6.248 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.315 -4.815 -4.142 1.00 0.00 C ATOM 0 H ILE A 15 0.399 -1.575 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 15 3.095 -0.830 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 15 1.711 -3.229 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.092 -2.890 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.357 -2.924 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.906 -4.345 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.947 -2.931 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.643 -2.823 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.175 -5.093 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.508 -5.237 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.271 -5.203 -4.495 1.00 0.00 H new ATOM 250 N LYS A 16 1.668 -0.790 -8.040 1.00 0.00 N ATOM 251 CA LYS A 16 1.838 -0.331 -9.416 1.00 0.00 C ATOM 252 C LYS A 16 2.306 1.119 -9.446 1.00 0.00 C ATOM 253 O LYS A 16 3.245 1.468 -10.164 1.00 0.00 O ATOM 254 CB LYS A 16 0.528 -0.457 -10.201 1.00 0.00 C ATOM 255 CG LYS A 16 0.656 -0.019 -11.650 1.00 0.00 C ATOM 256 CD LYS A 16 -0.698 0.111 -12.328 1.00 0.00 C ATOM 257 CE LYS A 16 -0.547 0.551 -13.775 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.861 0.803 -14.424 1.00 0.00 N ATOM 0 H LYS A 16 0.729 -1.121 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 16 2.594 -0.963 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.191 -1.493 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.240 0.143 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.177 0.937 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.266 -0.740 -12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.221 -0.844 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.311 0.833 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.057 1.457 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.009 -0.216 -14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.710 1.101 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.429 -0.068 -14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.364 1.553 -13.909 1.00 0.00 H new ATOM 272 N ILE A 17 1.648 1.956 -8.659 1.00 0.00 N ATOM 273 CA ILE A 17 2.005 3.367 -8.581 1.00 0.00 C ATOM 274 C ILE A 17 3.399 3.543 -7.974 1.00 0.00 C ATOM 275 O ILE A 17 4.173 4.397 -8.408 1.00 0.00 O ATOM 276 CB ILE A 17 0.972 4.165 -7.756 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.422 3.986 -8.362 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.348 5.640 -7.708 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.525 4.670 -7.584 1.00 0.00 C ATOM 0 H ILE A 17 0.864 1.685 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 17 2.009 3.757 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 17 0.966 3.784 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.416 4.373 -9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.644 2.921 -8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.608 6.185 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.329 5.751 -7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.376 6.041 -8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.481 4.496 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.561 4.266 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.329 5.741 -7.541 1.00 0.00 H new ATOM 291 N LEU A 18 3.714 2.717 -6.979 1.00 0.00 N ATOM 292 CA LEU A 18 5.028 2.740 -6.340 1.00 0.00 C ATOM 293 C LEU A 18 6.142 2.491 -7.361 1.00 0.00 C ATOM 294 O LEU A 18 7.215 3.094 -7.276 1.00 0.00 O ATOM 295 CB LEU A 18 5.101 1.695 -5.221 1.00 0.00 C ATOM 296 CG LEU A 18 4.170 1.933 -4.028 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.214 0.746 -3.077 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.546 3.210 -3.288 1.00 0.00 C ATOM 0 H LEU A 18 3.074 2.021 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 18 5.171 3.731 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.874 0.718 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.127 1.653 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 18 3.155 2.044 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.547 0.930 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.894 -0.154 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.232 0.610 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.869 3.355 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.570 3.130 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.469 4.060 -3.966 1.00 0.00 H new ATOM 310 N LYS A 19 5.876 1.610 -8.327 1.00 0.00 N ATOM 311 CA LYS A 19 6.842 1.296 -9.384 1.00 0.00 C ATOM 312 C LYS A 19 7.241 2.558 -10.148 1.00 0.00 C ATOM 313 O LYS A 19 8.424 2.793 -10.409 1.00 0.00 O ATOM 314 CB LYS A 19 6.252 0.285 -10.375 1.00 0.00 C ATOM 315 CG LYS A 19 5.871 -1.059 -9.770 1.00 0.00 C ATOM 316 CD LYS A 19 5.158 -1.932 -10.795 1.00 0.00 C ATOM 317 CE LYS A 19 4.666 -3.244 -10.198 1.00 0.00 C ATOM 318 NZ LYS A 19 5.780 -4.171 -9.866 1.00 0.00 N ATOM 0 H LYS A 19 4.996 1.099 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 19 7.723 0.867 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.367 0.724 -10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.975 0.116 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.766 -1.568 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.225 -0.904 -8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.311 -1.384 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.836 -2.144 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.090 -3.036 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.991 -3.730 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.393 -5.048 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.316 -4.393 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.411 -3.721 -9.173 1.00 0.00 H new ATOM 332 N GLU A 20 6.248 3.370 -10.495 1.00 0.00 N ATOM 333 CA GLU A 20 6.486 4.584 -11.270 1.00 0.00 C ATOM 334 C GLU A 20 7.274 5.604 -10.452 1.00 0.00 C ATOM 335 O GLU A 20 8.109 6.335 -10.989 1.00 0.00 O ATOM 336 CB GLU A 20 5.158 5.193 -11.731 1.00 0.00 C ATOM 337 CG GLU A 20 4.295 4.247 -12.553 1.00 0.00 C ATOM 338 CD GLU A 20 4.976 3.775 -13.823 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.702 2.761 -13.774 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.772 4.406 -14.885 1.00 0.00 O ATOM 0 H GLU A 20 5.270 3.210 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 20 7.075 4.316 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.594 5.514 -10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.365 6.085 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.034 3.381 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.362 4.748 -12.812 1.00 0.00 H new ATOM 347 N VAL A 21 7.012 5.635 -9.151 1.00 0.00 N ATOM 348 CA VAL A 21 7.699 6.554 -8.253 1.00 0.00 C ATOM 349 C VAL A 21 9.193 6.255 -8.208 1.00 0.00 C ATOM 350 O VAL A 21 10.016 7.169 -8.233 1.00 0.00 O ATOM 351 CB VAL A 21 7.111 6.501 -6.829 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.911 7.371 -5.872 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.656 6.933 -6.847 1.00 0.00 C ATOM 0 H VAL A 21 6.327 5.033 -8.694 1.00 0.00 H new ATOM 0 HA VAL A 21 7.551 7.560 -8.646 1.00 0.00 H new ATOM 0 HB VAL A 21 7.170 5.472 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.473 7.314 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.942 7.019 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.892 8.405 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.252 6.891 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.584 7.953 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.086 6.265 -7.493 1.00 0.00 H new ATOM 363 N LEU A 22 9.534 4.972 -8.172 1.00 0.00 N ATOM 364 CA LEU A 22 10.934 4.553 -8.149 1.00 0.00 C ATOM 365 C LEU A 22 11.677 5.079 -9.376 1.00 0.00 C ATOM 366 O LEU A 22 12.851 5.449 -9.297 1.00 0.00 O ATOM 367 CB LEU A 22 11.035 3.025 -8.091 1.00 0.00 C ATOM 368 CG LEU A 22 10.395 2.373 -6.861 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.476 0.856 -6.956 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.056 2.869 -5.580 1.00 0.00 C ATOM 0 H LEU A 22 8.863 4.204 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 22 11.398 4.972 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.568 2.612 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.088 2.745 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 22 9.343 2.659 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.016 0.411 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.949 0.519 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.521 0.550 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.585 2.393 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.117 2.619 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.939 3.950 -5.505 1.00 0.00 H new ATOM 382 N LYS A 23 10.977 5.123 -10.504 1.00 0.00 N ATOM 383 CA LYS A 23 11.549 5.622 -11.750 1.00 0.00 C ATOM 384 C LYS A 23 11.767 7.131 -11.669 1.00 0.00 C ATOM 385 O LYS A 23 12.845 7.635 -11.985 1.00 0.00 O ATOM 386 CB LYS A 23 10.615 5.304 -12.920 1.00 0.00 C ATOM 387 CG LYS A 23 10.308 3.825 -13.075 1.00 0.00 C ATOM 388 CD LYS A 23 9.218 3.598 -14.105 1.00 0.00 C ATOM 389 CE LYS A 23 8.917 2.119 -14.286 1.00 0.00 C ATOM 390 NZ LYS A 23 7.750 1.901 -15.178 1.00 0.00 N ATOM 0 H LYS A 23 10.007 4.817 -10.581 1.00 0.00 H new ATOM 0 HA LYS A 23 12.509 5.132 -11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.680 5.847 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.066 5.671 -13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.211 3.292 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.997 3.413 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.312 4.119 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.524 4.027 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.791 1.618 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.722 1.666 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.533 0.885 -15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.927 2.414 -14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.972 2.251 -16.132 1.00 0.00 H new ATOM 404 N LYS A 24 10.740 7.839 -11.213 1.00 0.00 N ATOM 405 CA LYS A 24 10.776 9.297 -11.133 1.00 0.00 C ATOM 406 C LYS A 24 11.764 9.769 -10.069 1.00 0.00 C ATOM 407 O LYS A 24 12.306 10.872 -10.158 1.00 0.00 O ATOM 408 CB LYS A 24 9.378 9.850 -10.832 1.00 0.00 C ATOM 409 CG LYS A 24 8.509 10.112 -12.062 1.00 0.00 C ATOM 410 CD LYS A 24 8.411 8.909 -12.991 1.00 0.00 C ATOM 411 CE LYS A 24 9.382 9.019 -14.158 1.00 0.00 C ATOM 412 NZ LYS A 24 9.045 10.161 -15.049 1.00 0.00 N ATOM 0 H LYS A 24 9.866 7.424 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 24 11.109 9.675 -12.099 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.858 9.147 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.484 10.781 -10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.508 10.396 -11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.917 10.958 -12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.618 7.998 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.393 8.825 -13.371 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.396 9.142 -13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.367 8.093 -14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.526 10.042 -15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.017 10.191 -15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.356 11.050 -14.607 1.00 0.00 H new ATOM 426 N ALA A 25 11.995 8.928 -9.068 1.00 0.00 N ATOM 427 CA ALA A 25 12.938 9.236 -8.000 1.00 0.00 C ATOM 428 C ALA A 25 14.353 9.383 -8.546 1.00 0.00 C ATOM 429 O ALA A 25 15.062 10.336 -8.217 1.00 0.00 O ATOM 430 CB ALA A 25 12.894 8.159 -6.928 1.00 0.00 C ATOM 0 H ALA A 25 11.538 8.021 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 25 12.646 10.187 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.604 8.403 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.889 8.103 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.158 7.197 -7.368 1.00 0.00 H new ATOM 436 N LYS A 26 14.759 8.443 -9.393 1.00 0.00 N ATOM 437 CA LYS A 26 16.084 8.493 -9.998 1.00 0.00 C ATOM 438 C LYS A 26 16.157 9.606 -11.035 1.00 0.00 C ATOM 439 O LYS A 26 17.198 10.246 -11.194 1.00 0.00 O ATOM 440 CB LYS A 26 16.463 7.144 -10.619 1.00 0.00 C ATOM 441 CG LYS A 26 16.692 6.053 -9.584 1.00 0.00 C ATOM 442 CD LYS A 26 17.251 4.785 -10.210 1.00 0.00 C ATOM 443 CE LYS A 26 17.519 3.712 -9.163 1.00 0.00 C ATOM 444 NZ LYS A 26 18.511 4.154 -8.145 1.00 0.00 N ATOM 0 H LYS A 26 14.193 7.642 -9.674 1.00 0.00 H new ATOM 0 HA LYS A 26 16.805 8.709 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.672 6.830 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.367 7.267 -11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.381 6.415 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.752 5.826 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.548 4.404 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.176 5.017 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.585 3.450 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.883 2.810 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.815 3.337 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.336 4.570 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.076 4.865 -7.522 1.00 0.00 H new ATOM 458 N GLU A 27 15.044 9.843 -11.723 1.00 0.00 N ATOM 459 CA GLU A 27 14.939 10.968 -12.651 1.00 0.00 C ATOM 460 C GLU A 27 15.156 12.287 -11.916 1.00 0.00 C ATOM 461 O GLU A 27 15.743 13.225 -12.457 1.00 0.00 O ATOM 462 CB GLU A 27 13.569 10.979 -13.331 1.00 0.00 C ATOM 463 CG GLU A 27 13.380 9.868 -14.351 1.00 0.00 C ATOM 464 CD GLU A 27 14.234 10.057 -15.589 1.00 0.00 C ATOM 465 OE1 GLU A 27 13.763 10.716 -16.543 1.00 0.00 O ATOM 466 OE2 GLU A 27 15.373 9.552 -15.618 1.00 0.00 O ATOM 0 H GLU A 27 14.201 9.272 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 27 15.711 10.852 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.795 10.895 -12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.427 11.940 -13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.624 8.911 -13.889 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.331 9.823 -14.642 1.00 0.00 H new ATOM 473 N GLY A 28 14.667 12.351 -10.685 1.00 0.00 N ATOM 474 CA GLY A 28 14.881 13.518 -9.855 1.00 0.00 C ATOM 475 C GLY A 28 13.912 14.637 -10.162 1.00 0.00 C ATOM 476 O GLY A 28 14.309 15.797 -10.271 1.00 0.00 O ATOM 0 H GLY A 28 14.122 11.609 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.784 13.236 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.901 13.877 -9.995 1.00 0.00 H new ATOM 480 N ASP A 29 12.641 14.297 -10.306 1.00 0.00 N ATOM 481 CA ASP A 29 11.618 15.299 -10.563 1.00 0.00 C ATOM 482 C ASP A 29 10.628 15.344 -9.408 1.00 0.00 C ATOM 483 O ASP A 29 9.865 14.400 -9.194 1.00 0.00 O ATOM 484 CB ASP A 29 10.879 15.009 -11.868 1.00 0.00 C ATOM 485 CG ASP A 29 9.991 16.164 -12.283 1.00 0.00 C ATOM 486 OD1 ASP A 29 8.860 16.270 -11.776 1.00 0.00 O ATOM 487 OD2 ASP A 29 10.431 16.983 -13.116 1.00 0.00 O ATOM 0 H ASP A 29 12.294 13.340 -10.250 1.00 0.00 H new ATOM 0 HA ASP A 29 12.110 16.267 -10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.603 14.806 -12.657 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.274 14.110 -11.751 1.00 0.00 H new ATOM 492 N GLU A 30 10.648 16.444 -8.670 1.00 0.00 N ATOM 493 CA GLU A 30 9.810 16.602 -7.487 1.00 0.00 C ATOM 494 C GLU A 30 8.339 16.738 -7.867 1.00 0.00 C ATOM 495 O GLU A 30 7.457 16.353 -7.104 1.00 0.00 O ATOM 496 CB GLU A 30 10.253 17.833 -6.694 1.00 0.00 C ATOM 497 CG GLU A 30 11.678 17.743 -6.171 1.00 0.00 C ATOM 498 CD GLU A 30 12.207 19.084 -5.711 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.912 19.492 -4.570 1.00 0.00 O ATOM 500 OE2 GLU A 30 12.924 19.742 -6.499 1.00 0.00 O ATOM 0 H GLU A 30 11.241 17.249 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 30 9.924 15.710 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.163 18.715 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.575 17.976 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.714 17.037 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.326 17.349 -6.954 1.00 0.00 H new ATOM 507 N GLN A 31 8.080 17.277 -9.051 1.00 0.00 N ATOM 508 CA GLN A 31 6.722 17.509 -9.500 1.00 0.00 C ATOM 509 C GLN A 31 6.020 16.191 -9.799 1.00 0.00 C ATOM 510 O GLN A 31 4.896 15.961 -9.346 1.00 0.00 O ATOM 511 CB GLN A 31 6.732 18.410 -10.730 1.00 0.00 C ATOM 512 CG GLN A 31 7.301 19.792 -10.458 1.00 0.00 C ATOM 513 CD GLN A 31 6.516 20.545 -9.401 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.809 20.455 -8.208 1.00 0.00 O ATOM 515 NE2 GLN A 31 5.513 21.294 -9.828 1.00 0.00 N ATOM 0 H GLN A 31 8.798 17.561 -9.717 1.00 0.00 H new ATOM 0 HA GLN A 31 6.168 18.008 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.316 17.933 -11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.714 18.511 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.338 19.698 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.305 20.369 -11.383 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.301 21.343 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.951 21.823 -9.161 1.00 0.00 H new ATOM 524 N GLU A 32 6.690 15.320 -10.546 1.00 0.00 N ATOM 525 CA GLU A 32 6.156 13.996 -10.824 1.00 0.00 C ATOM 526 C GLU A 32 6.041 13.200 -9.533 1.00 0.00 C ATOM 527 O GLU A 32 5.043 12.524 -9.299 1.00 0.00 O ATOM 528 CB GLU A 32 7.031 13.242 -11.828 1.00 0.00 C ATOM 529 CG GLU A 32 7.098 13.889 -13.203 1.00 0.00 C ATOM 530 CD GLU A 32 7.766 12.992 -14.227 1.00 0.00 C ATOM 531 OE1 GLU A 32 8.984 12.737 -14.106 1.00 0.00 O ATOM 532 OE2 GLU A 32 7.077 12.528 -15.157 1.00 0.00 O ATOM 0 H GLU A 32 7.600 15.508 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 32 5.166 14.117 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.041 13.163 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.650 12.226 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.089 14.131 -13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.645 14.829 -13.134 1.00 0.00 H new ATOM 539 N LEU A 33 7.065 13.304 -8.688 1.00 0.00 N ATOM 540 CA LEU A 33 7.063 12.638 -7.390 1.00 0.00 C ATOM 541 C LEU A 33 5.876 13.085 -6.546 1.00 0.00 C ATOM 542 O LEU A 33 5.205 12.263 -5.931 1.00 0.00 O ATOM 543 CB LEU A 33 8.368 12.909 -6.639 1.00 0.00 C ATOM 544 CG LEU A 33 9.578 12.110 -7.124 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.832 12.521 -6.364 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.321 10.618 -6.966 1.00 0.00 C ATOM 0 H LEU A 33 7.908 13.845 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 33 6.976 11.566 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.599 13.971 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.211 12.694 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 33 9.735 12.326 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.682 11.941 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.023 13.582 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.690 12.334 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.190 10.060 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.141 10.389 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.448 10.335 -7.554 1.00 0.00 H new ATOM 558 N ALA A 34 5.615 14.387 -6.529 1.00 0.00 N ATOM 559 CA ALA A 34 4.493 14.931 -5.775 1.00 0.00 C ATOM 560 C ALA A 34 3.165 14.440 -6.340 1.00 0.00 C ATOM 561 O ALA A 34 2.266 14.058 -5.590 1.00 0.00 O ATOM 562 CB ALA A 34 4.539 16.451 -5.772 1.00 0.00 C ATOM 0 H ALA A 34 6.165 15.085 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 34 4.575 14.578 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.693 16.839 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.469 16.786 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.487 16.819 -6.797 1.00 0.00 H new ATOM 568 N ARG A 35 3.050 14.445 -7.664 1.00 0.00 N ATOM 569 CA ARG A 35 1.831 13.998 -8.325 1.00 0.00 C ATOM 570 C ARG A 35 1.598 12.513 -8.058 1.00 0.00 C ATOM 571 O ARG A 35 0.495 12.095 -7.709 1.00 0.00 O ATOM 572 CB ARG A 35 1.915 14.237 -9.831 1.00 0.00 C ATOM 573 CG ARG A 35 0.590 14.651 -10.439 1.00 0.00 C ATOM 574 CD ARG A 35 0.463 14.198 -11.883 1.00 0.00 C ATOM 575 NE ARG A 35 -0.031 12.827 -11.969 1.00 0.00 N ATOM 576 CZ ARG A 35 0.512 11.877 -12.728 1.00 0.00 C ATOM 577 NH1 ARG A 35 1.536 12.152 -13.524 1.00 0.00 N ATOM 578 NH2 ARG A 35 0.008 10.649 -12.708 1.00 0.00 N ATOM 0 H ARG A 35 3.786 14.754 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 35 0.997 14.573 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.657 15.010 -10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.264 13.327 -10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.226 14.228 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.490 15.735 -10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.214 14.865 -12.417 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.433 14.268 -12.375 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.847 12.580 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.915 13.098 -13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.945 11.417 -14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.792 10.436 -12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.421 9.919 -13.288 1.00 0.00 H new ATOM 592 N LEU A 36 2.653 11.730 -8.225 1.00 0.00 N ATOM 593 CA LEU A 36 2.605 10.293 -7.973 1.00 0.00 C ATOM 594 C LEU A 36 2.358 9.998 -6.498 1.00 0.00 C ATOM 595 O LEU A 36 1.696 9.020 -6.160 1.00 0.00 O ATOM 596 CB LEU A 36 3.904 9.625 -8.428 1.00 0.00 C ATOM 597 CG LEU A 36 4.145 9.639 -9.939 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.483 8.996 -10.265 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.019 8.922 -10.667 1.00 0.00 C ATOM 0 H LEU A 36 3.563 12.068 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 36 1.774 9.884 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.741 10.122 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.902 8.590 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 36 4.165 10.675 -10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.642 9.013 -11.343 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.282 9.549 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.486 7.964 -9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.208 8.943 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.967 7.888 -10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.073 9.421 -10.456 1.00 0.00 H new ATOM 611 N ASN A 37 2.899 10.838 -5.624 1.00 0.00 N ATOM 612 CA ASN A 37 2.661 10.705 -4.188 1.00 0.00 C ATOM 613 C ASN A 37 1.171 10.852 -3.900 1.00 0.00 C ATOM 614 O ASN A 37 0.599 10.112 -3.101 1.00 0.00 O ATOM 615 CB ASN A 37 3.449 11.765 -3.411 1.00 0.00 C ATOM 616 CG ASN A 37 3.475 11.497 -1.919 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.501 10.349 -1.485 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.458 12.557 -1.123 1.00 0.00 N ATOM 0 H ASN A 37 3.504 11.617 -5.881 1.00 0.00 H new ATOM 0 HA ASN A 37 2.998 9.719 -3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.471 11.801 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.008 12.745 -3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.466 12.435 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.437 13.495 -1.523 1.00 0.00 H new ATOM 625 N GLN A 38 0.551 11.810 -4.581 1.00 0.00 N ATOM 626 CA GLN A 38 -0.887 12.026 -4.496 1.00 0.00 C ATOM 627 C GLN A 38 -1.633 10.765 -4.932 1.00 0.00 C ATOM 628 O GLN A 38 -2.627 10.368 -4.316 1.00 0.00 O ATOM 629 CB GLN A 38 -1.271 13.209 -5.388 1.00 0.00 C ATOM 630 CG GLN A 38 -2.074 14.291 -4.684 1.00 0.00 C ATOM 631 CD GLN A 38 -3.535 13.929 -4.500 1.00 0.00 C ATOM 632 OE1 GLN A 38 -4.116 13.206 -5.307 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.147 14.448 -3.446 1.00 0.00 N ATOM 0 H GLN A 38 1.031 12.457 -5.206 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.163 12.249 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.362 13.654 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.848 12.838 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.630 14.487 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.005 15.216 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.631 15.044 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.134 14.252 -3.282 1.00 0.00 H new ATOM 642 N GLU A 39 -1.131 10.134 -5.991 1.00 0.00 N ATOM 643 CA GLU A 39 -1.697 8.889 -6.502 1.00 0.00 C ATOM 644 C GLU A 39 -1.564 7.771 -5.470 1.00 0.00 C ATOM 645 O GLU A 39 -2.472 6.957 -5.304 1.00 0.00 O ATOM 646 CB GLU A 39 -0.990 8.476 -7.796 1.00 0.00 C ATOM 647 CG GLU A 39 -1.035 9.527 -8.892 1.00 0.00 C ATOM 648 CD GLU A 39 -2.429 9.757 -9.433 1.00 0.00 C ATOM 649 OE1 GLU A 39 -2.844 9.016 -10.347 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.115 10.686 -8.961 1.00 0.00 O ATOM 0 H GLU A 39 -0.324 10.470 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.754 9.057 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.051 8.246 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.445 7.558 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.642 10.467 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.380 9.221 -9.708 1.00 0.00 H new ATOM 657 N ILE A 40 -0.427 7.733 -4.782 1.00 0.00 N ATOM 658 CA ILE A 40 -0.192 6.734 -3.747 1.00 0.00 C ATOM 659 C ILE A 40 -1.193 6.891 -2.610 1.00 0.00 C ATOM 660 O ILE A 40 -1.837 5.926 -2.207 1.00 0.00 O ATOM 661 CB ILE A 40 1.240 6.821 -3.173 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.270 6.528 -4.265 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.409 5.850 -2.006 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.699 6.665 -3.795 1.00 0.00 C ATOM 0 H ILE A 40 0.346 8.383 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.317 5.759 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 40 1.404 7.834 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.114 5.516 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.104 7.206 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.423 5.925 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.697 6.099 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.227 4.832 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.376 6.443 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.872 7.684 -3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.882 5.967 -2.978 1.00 0.00 H new ATOM 676 N VAL A 41 -1.335 8.117 -2.118 1.00 0.00 N ATOM 677 CA VAL A 41 -2.229 8.392 -1.000 1.00 0.00 C ATOM 678 C VAL A 41 -3.657 7.945 -1.315 1.00 0.00 C ATOM 679 O VAL A 41 -4.271 7.227 -0.530 1.00 0.00 O ATOM 680 CB VAL A 41 -2.230 9.891 -0.624 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.189 10.162 0.529 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.826 10.355 -0.268 1.00 0.00 C ATOM 0 H VAL A 41 -0.843 8.935 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.855 7.822 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.572 10.456 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.172 11.224 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.199 9.873 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.883 9.583 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.848 11.413 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.457 9.779 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.166 10.206 -1.123 1.00 0.00 H new ATOM 692 N LYS A 42 -4.173 8.356 -2.472 1.00 0.00 N ATOM 693 CA LYS A 42 -5.538 8.006 -2.864 1.00 0.00 C ATOM 694 C LYS A 42 -5.693 6.490 -3.029 1.00 0.00 C ATOM 695 O LYS A 42 -6.731 5.925 -2.687 1.00 0.00 O ATOM 696 CB LYS A 42 -5.937 8.727 -4.157 1.00 0.00 C ATOM 697 CG LYS A 42 -5.111 8.318 -5.365 1.00 0.00 C ATOM 698 CD LYS A 42 -5.517 9.070 -6.619 1.00 0.00 C ATOM 699 CE LYS A 42 -5.272 10.564 -6.487 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.403 11.257 -7.794 1.00 0.00 N ATOM 0 H LYS A 42 -3.671 8.928 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.206 8.332 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.989 8.529 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.839 9.802 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.056 8.500 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.223 7.247 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.957 8.684 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.573 8.892 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.982 10.988 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.275 10.735 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.830 12.194 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.463 11.368 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.009 10.695 -8.426 1.00 0.00 H new ATOM 714 N ALA A 43 -4.651 5.837 -3.540 1.00 0.00 N ATOM 715 CA ALA A 43 -4.683 4.394 -3.752 1.00 0.00 C ATOM 716 C ALA A 43 -4.738 3.653 -2.423 1.00 0.00 C ATOM 717 O ALA A 43 -5.559 2.751 -2.240 1.00 0.00 O ATOM 718 CB ALA A 43 -3.475 3.942 -4.558 1.00 0.00 C ATOM 0 H ALA A 43 -3.776 6.285 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.585 4.157 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.519 2.863 -4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.477 4.440 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.562 4.199 -4.020 1.00 0.00 H new ATOM 724 N GLU A 44 -3.873 4.051 -1.496 1.00 0.00 N ATOM 725 CA GLU A 44 -3.859 3.463 -0.164 1.00 0.00 C ATOM 726 C GLU A 44 -5.196 3.709 0.540 1.00 0.00 C ATOM 727 O GLU A 44 -5.772 2.794 1.125 1.00 0.00 O ATOM 728 CB GLU A 44 -2.709 4.041 0.668 1.00 0.00 C ATOM 729 CG GLU A 44 -1.325 3.766 0.096 1.00 0.00 C ATOM 730 CD GLU A 44 -0.886 2.322 0.259 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.369 1.458 -0.483 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.034 2.042 1.142 1.00 0.00 O ATOM 0 H GLU A 44 -3.173 4.778 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.708 2.388 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.846 5.119 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.762 3.629 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.319 4.023 -0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.601 4.417 0.586 1.00 0.00 H new ATOM 739 N LYS A 45 -5.698 4.945 0.458 1.00 0.00 N ATOM 740 CA LYS A 45 -6.988 5.301 1.060 1.00 0.00 C ATOM 741 C LYS A 45 -8.119 4.455 0.479 1.00 0.00 C ATOM 742 O LYS A 45 -9.023 4.029 1.202 1.00 0.00 O ATOM 743 CB LYS A 45 -7.307 6.783 0.836 1.00 0.00 C ATOM 744 CG LYS A 45 -6.415 7.744 1.599 1.00 0.00 C ATOM 745 CD LYS A 45 -6.540 7.553 3.096 1.00 0.00 C ATOM 746 CE LYS A 45 -5.744 8.598 3.861 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.786 8.367 5.327 1.00 0.00 N ATOM 0 H LYS A 45 -5.231 5.716 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.909 5.106 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.227 7.001 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.343 6.965 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.378 7.595 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.678 8.769 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.590 7.611 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.189 6.557 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.708 8.585 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.140 9.589 3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.425 9.208 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.767 8.186 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.195 7.545 5.566 1.00 0.00 H new ATOM 761 N GLN A 46 -8.060 4.219 -0.829 1.00 0.00 N ATOM 762 CA GLN A 46 -9.063 3.410 -1.516 1.00 0.00 C ATOM 763 C GLN A 46 -9.068 2.007 -0.921 1.00 0.00 C ATOM 764 O GLN A 46 -10.126 1.447 -0.625 1.00 0.00 O ATOM 765 CB GLN A 46 -8.759 3.370 -3.023 1.00 0.00 C ATOM 766 CG GLN A 46 -9.960 3.053 -3.913 1.00 0.00 C ATOM 767 CD GLN A 46 -10.222 1.568 -4.098 1.00 0.00 C ATOM 768 OE1 GLN A 46 -9.672 0.936 -5.001 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.077 1.006 -3.263 1.00 0.00 N ATOM 0 H GLN A 46 -7.324 4.579 -1.437 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.051 3.850 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.348 4.334 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.985 2.624 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.848 3.517 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.803 3.508 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.512 1.563 -2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.302 0.015 -3.354 1.00 0.00 H new ATOM 778 N GLY A 47 -7.876 1.460 -0.721 1.00 0.00 N ATOM 779 CA GLY A 47 -7.752 0.164 -0.090 1.00 0.00 C ATOM 780 C GLY A 47 -8.232 0.180 1.348 1.00 0.00 C ATOM 781 O GLY A 47 -8.993 -0.696 1.763 1.00 0.00 O ATOM 0 H GLY A 47 -6.992 1.893 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.327 -0.570 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.710 -0.155 -0.120 1.00 0.00 H new ATOM 785 N VAL A 48 -7.801 1.193 2.102 1.00 0.00 N ATOM 786 CA VAL A 48 -8.197 1.352 3.499 1.00 0.00 C ATOM 787 C VAL A 48 -9.717 1.345 3.640 1.00 0.00 C ATOM 788 O VAL A 48 -10.258 0.736 4.560 1.00 0.00 O ATOM 789 CB VAL A 48 -7.629 2.660 4.103 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.200 2.910 5.490 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.109 2.607 4.163 1.00 0.00 C ATOM 0 H VAL A 48 -7.172 1.921 1.763 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.783 0.506 4.047 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.925 3.485 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.786 3.834 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.285 2.996 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.939 2.079 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.729 3.535 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.798 1.767 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.709 2.481 3.157 1.00 0.00 H new ATOM 801 N LYS A 49 -10.399 2.008 2.713 1.00 0.00 N ATOM 802 CA LYS A 49 -11.859 2.049 2.705 1.00 0.00 C ATOM 803 C LYS A 49 -12.444 0.637 2.688 1.00 0.00 C ATOM 804 O LYS A 49 -13.304 0.302 3.510 1.00 0.00 O ATOM 805 CB LYS A 49 -12.350 2.850 1.489 1.00 0.00 C ATOM 806 CG LYS A 49 -13.846 2.750 1.228 1.00 0.00 C ATOM 807 CD LYS A 49 -14.671 3.271 2.396 1.00 0.00 C ATOM 808 CE LYS A 49 -16.154 3.291 2.057 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.665 1.946 1.674 1.00 0.00 N ATOM 0 H LYS A 49 -9.962 2.528 1.952 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.199 2.541 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.088 3.899 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.816 2.505 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.095 3.315 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.110 1.710 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.504 2.643 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.341 4.277 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.716 3.659 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.328 3.990 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.013 1.973 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.897 1.248 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.442 1.676 2.310 1.00 0.00 H new ATOM 823 N VAL A 50 -11.958 -0.192 1.774 1.00 0.00 N ATOM 824 CA VAL A 50 -12.462 -1.552 1.635 1.00 0.00 C ATOM 825 C VAL A 50 -12.052 -2.411 2.830 1.00 0.00 C ATOM 826 O VAL A 50 -12.875 -3.127 3.401 1.00 0.00 O ATOM 827 CB VAL A 50 -11.968 -2.214 0.333 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.658 -3.554 0.113 1.00 0.00 C ATOM 829 CG2 VAL A 50 -12.198 -1.291 -0.855 1.00 0.00 C ATOM 0 H VAL A 50 -11.216 0.053 1.118 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.549 -1.484 1.596 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.897 -2.395 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.294 -4.003 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.439 -4.218 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.735 -3.402 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.843 -1.774 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.263 -1.077 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.653 -0.359 -0.703 1.00 0.00 H new ATOM 839 N TYR A 51 -10.779 -2.321 3.211 1.00 0.00 N ATOM 840 CA TYR A 51 -10.265 -3.078 4.351 1.00 0.00 C ATOM 841 C TYR A 51 -11.022 -2.727 5.631 1.00 0.00 C ATOM 842 O TYR A 51 -11.431 -3.612 6.380 1.00 0.00 O ATOM 843 CB TYR A 51 -8.766 -2.820 4.549 1.00 0.00 C ATOM 844 CG TYR A 51 -7.860 -3.628 3.641 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.443 -4.902 4.004 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.413 -3.115 2.430 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.612 -5.641 3.189 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.581 -3.852 1.606 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.185 -5.113 1.992 1.00 0.00 C ATOM 850 OH TYR A 51 -5.363 -5.853 1.177 1.00 0.00 O ATOM 0 H TYR A 51 -10.086 -1.733 2.748 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.415 -4.136 4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.569 -1.760 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.507 -3.038 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.776 -5.322 4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.720 -2.125 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.298 -6.630 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.244 -3.441 0.666 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.525 -5.610 0.242 1.00 0.00 H new ATOM 860 N LYS A 52 -11.216 -1.435 5.867 1.00 0.00 N ATOM 861 CA LYS A 52 -11.899 -0.958 7.069 1.00 0.00 C ATOM 862 C LYS A 52 -13.326 -1.487 7.132 1.00 0.00 C ATOM 863 O LYS A 52 -13.797 -1.917 8.187 1.00 0.00 O ATOM 864 CB LYS A 52 -11.909 0.572 7.096 1.00 0.00 C ATOM 865 CG LYS A 52 -12.559 1.169 8.336 1.00 0.00 C ATOM 866 CD LYS A 52 -12.593 2.687 8.265 1.00 0.00 C ATOM 867 CE LYS A 52 -11.193 3.281 8.191 1.00 0.00 C ATOM 868 NZ LYS A 52 -11.222 4.759 8.028 1.00 0.00 N ATOM 0 H LYS A 52 -10.909 -0.693 5.239 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.356 -1.330 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.883 0.932 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.434 0.937 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.574 0.785 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.009 0.857 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.166 2.997 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.109 3.080 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.643 3.027 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.654 2.835 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.249 5.122 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.724 5.002 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.714 5.188 8.838 1.00 0.00 H new ATOM 882 N GLU A 53 -14.009 -1.451 6.001 1.00 0.00 N ATOM 883 CA GLU A 53 -15.387 -1.904 5.934 1.00 0.00 C ATOM 884 C GLU A 53 -15.462 -3.414 6.153 1.00 0.00 C ATOM 885 O GLU A 53 -16.369 -3.911 6.818 1.00 0.00 O ATOM 886 CB GLU A 53 -15.996 -1.521 4.587 1.00 0.00 C ATOM 887 CG GLU A 53 -17.507 -1.656 4.539 1.00 0.00 C ATOM 888 CD GLU A 53 -18.097 -0.999 3.313 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.019 0.243 3.211 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.644 -1.716 2.448 1.00 0.00 O ATOM 0 H GLU A 53 -13.631 -1.112 5.116 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.959 -1.418 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.725 -0.491 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.559 -2.148 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.777 -2.712 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.939 -1.208 5.434 1.00 0.00 H new ATOM 897 N ALA A 54 -14.490 -4.129 5.603 1.00 0.00 N ATOM 898 CA ALA A 54 -14.429 -5.578 5.733 1.00 0.00 C ATOM 899 C ALA A 54 -14.045 -5.999 7.150 1.00 0.00 C ATOM 900 O ALA A 54 -14.531 -7.007 7.653 1.00 0.00 O ATOM 901 CB ALA A 54 -13.444 -6.159 4.728 1.00 0.00 C ATOM 0 H ALA A 54 -13.728 -3.725 5.059 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.424 -5.971 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.409 -7.243 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.764 -5.906 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.452 -5.744 4.909 1.00 0.00 H new ATOM 907 N ALA A 55 -13.180 -5.221 7.792 1.00 0.00 N ATOM 908 CA ALA A 55 -12.684 -5.549 9.129 1.00 0.00 C ATOM 909 C ALA A 55 -13.818 -5.692 10.138 1.00 0.00 C ATOM 910 O ALA A 55 -13.878 -6.663 10.890 1.00 0.00 O ATOM 911 CB ALA A 55 -11.701 -4.489 9.600 1.00 0.00 C ATOM 0 H ALA A 55 -12.805 -4.354 7.408 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.177 -6.511 9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.340 -4.745 10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.859 -4.441 8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.199 -3.520 9.633 1.00 0.00 H new ATOM 917 N GLU A 56 -14.726 -4.730 10.138 1.00 0.00 N ATOM 918 CA GLU A 56 -15.823 -4.719 11.097 1.00 0.00 C ATOM 919 C GLU A 56 -17.010 -5.538 10.582 1.00 0.00 C ATOM 920 O GLU A 56 -18.132 -5.411 11.079 1.00 0.00 O ATOM 921 CB GLU A 56 -16.255 -3.278 11.379 1.00 0.00 C ATOM 922 CG GLU A 56 -15.124 -2.382 11.866 1.00 0.00 C ATOM 923 CD GLU A 56 -15.593 -0.978 12.191 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.055 -0.269 11.271 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.499 -0.569 13.369 1.00 0.00 O ATOM 0 H GLU A 56 -14.727 -3.946 9.486 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.475 -5.175 12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.679 -2.851 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.048 -3.286 12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.671 -2.824 12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.348 -2.334 11.102 1.00 0.00 H new ATOM 932 N LYS A 57 -16.747 -6.387 9.598 1.00 0.00 N ATOM 933 CA LYS A 57 -17.783 -7.208 8.991 1.00 0.00 C ATOM 934 C LYS A 57 -17.219 -8.584 8.623 1.00 0.00 C ATOM 935 O LYS A 57 -17.849 -9.360 7.904 1.00 0.00 O ATOM 936 CB LYS A 57 -18.314 -6.498 7.739 1.00 0.00 C ATOM 937 CG LYS A 57 -19.693 -6.961 7.290 1.00 0.00 C ATOM 938 CD LYS A 57 -20.136 -6.249 6.019 1.00 0.00 C ATOM 939 CE LYS A 57 -20.125 -4.732 6.181 1.00 0.00 C ATOM 940 NZ LYS A 57 -21.053 -4.274 7.253 1.00 0.00 N ATOM 0 H LYS A 57 -15.817 -6.525 9.201 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.598 -7.351 9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.349 -5.426 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.609 -6.652 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.678 -8.037 7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -20.417 -6.774 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.478 -6.531 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -21.140 -6.578 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -19.113 -4.400 6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -20.405 -4.265 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -21.077 -3.234 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -22.008 -4.639 7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.722 -4.629 8.173 1.00 0.00 H new ATOM 954 N ALA A 58 -16.038 -8.889 9.154 1.00 0.00 N ATOM 955 CA ALA A 58 -15.304 -10.094 8.776 1.00 0.00 C ATOM 956 C ALA A 58 -15.874 -11.341 9.441 1.00 0.00 C ATOM 957 O ALA A 58 -16.621 -11.252 10.419 1.00 0.00 O ATOM 958 CB ALA A 58 -13.830 -9.943 9.124 1.00 0.00 C ATOM 0 H ALA A 58 -15.566 -8.314 9.852 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.411 -10.217 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.294 -10.848 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.415 -9.090 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.724 -9.783 10.197 1.00 0.00 H new ATOM 964 N ARG A 59 -15.518 -12.502 8.900 1.00 0.00 N ATOM 965 CA ARG A 59 -15.968 -13.781 9.439 1.00 0.00 C ATOM 966 C ARG A 59 -15.307 -14.084 10.781 1.00 0.00 C ATOM 967 O ARG A 59 -15.921 -13.924 11.835 1.00 0.00 O ATOM 968 CB ARG A 59 -15.672 -14.918 8.456 1.00 0.00 C ATOM 969 CG ARG A 59 -16.619 -14.987 7.269 1.00 0.00 C ATOM 970 CD ARG A 59 -18.048 -15.257 7.712 1.00 0.00 C ATOM 971 NE ARG A 59 -18.133 -16.383 8.643 1.00 0.00 N ATOM 972 CZ ARG A 59 -19.260 -16.788 9.224 1.00 0.00 C ATOM 973 NH1 ARG A 59 -20.423 -16.245 8.887 1.00 0.00 N ATOM 974 NH2 ARG A 59 -19.224 -17.763 10.124 1.00 0.00 N ATOM 0 H ARG A 59 -14.914 -12.583 8.082 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.045 -13.707 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.653 -14.805 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.713 -15.866 8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.580 -14.049 6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.293 -15.773 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.455 -14.364 8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.665 -15.463 6.838 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.275 -16.889 8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.457 -15.512 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.283 -16.561 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.335 -18.199 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.085 -18.076 10.571 1.00 0.00 H new ATOM 988 N ASN A 60 -14.051 -14.511 10.735 1.00 0.00 N ATOM 989 CA ASN A 60 -13.339 -14.918 11.943 1.00 0.00 C ATOM 990 C ASN A 60 -12.331 -13.856 12.366 1.00 0.00 C ATOM 991 O ASN A 60 -11.840 -13.090 11.531 1.00 0.00 O ATOM 992 CB ASN A 60 -12.616 -16.253 11.728 1.00 0.00 C ATOM 993 CG ASN A 60 -13.558 -17.399 11.408 1.00 0.00 C ATOM 994 OD1 ASN A 60 -14.729 -17.390 11.790 1.00 0.00 O ATOM 995 ND2 ASN A 60 -13.047 -18.399 10.708 1.00 0.00 N ATOM 0 H ASN A 60 -13.504 -14.585 9.877 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.079 -15.038 12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.899 -16.143 10.915 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.047 -16.499 12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.628 -19.201 10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.072 -18.367 10.411 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.007 -13.804 13.674 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.060 -12.827 14.232 1.00 0.00 C ATOM 1004 C PRO A 61 -9.680 -12.895 13.582 1.00 0.00 C ATOM 1005 O PRO A 61 -8.969 -11.893 13.520 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.971 -13.202 15.719 1.00 0.00 C ATOM 1007 CG PRO A 61 -11.537 -14.577 15.815 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.558 -14.680 14.722 1.00 0.00 C ATOM 0 HA PRO A 61 -11.400 -11.806 14.058 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.939 -13.177 16.069 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.534 -12.501 16.335 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.758 -15.329 15.693 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.992 -14.745 16.791 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.673 -15.706 14.372 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.540 -14.344 15.054 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.307 -14.074 13.090 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.024 -14.247 12.412 1.00 0.00 C ATOM 1018 C GLU A 62 -7.950 -13.366 11.171 1.00 0.00 C ATOM 1019 O GLU A 62 -6.910 -12.785 10.864 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.809 -15.702 12.007 1.00 0.00 C ATOM 1021 CG GLU A 62 -7.782 -16.669 13.174 1.00 0.00 C ATOM 1022 CD GLU A 62 -7.432 -18.075 12.742 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -8.304 -18.760 12.170 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -6.277 -18.501 12.970 1.00 0.00 O ATOM 0 H GLU A 62 -9.872 -14.921 13.147 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.241 -13.955 13.112 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.602 -15.999 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.869 -15.781 11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.056 -16.326 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.756 -16.673 13.663 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.069 -13.268 10.461 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.146 -12.430 9.276 1.00 0.00 C ATOM 1033 C LYS A 63 -9.032 -10.964 9.662 1.00 0.00 C ATOM 1034 O LYS A 63 -8.317 -10.197 9.015 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.457 -12.677 8.524 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.544 -14.051 7.877 1.00 0.00 C ATOM 1037 CD LYS A 63 -11.918 -14.298 7.276 1.00 0.00 C ATOM 1038 CE LYS A 63 -11.980 -15.628 6.537 1.00 0.00 C ATOM 1039 NZ LYS A 63 -11.181 -15.618 5.281 1.00 0.00 N ATOM 0 H LYS A 63 -9.934 -13.760 10.688 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.317 -12.688 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.290 -12.558 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.572 -11.915 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.785 -14.137 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.327 -14.819 8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.668 -14.286 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.165 -13.488 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.615 -16.421 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.018 -15.862 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.362 -16.492 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.453 -14.797 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.169 -15.558 5.514 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.714 -10.585 10.737 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.701 -9.204 11.194 1.00 0.00 C ATOM 1055 C ARG A 64 -8.305 -8.826 11.672 1.00 0.00 C ATOM 1056 O ARG A 64 -7.864 -7.711 11.453 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.741 -8.984 12.302 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.159 -7.526 12.484 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.168 -6.729 13.324 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.147 -7.175 14.716 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.757 -6.423 15.745 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.282 -5.196 15.549 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -9.825 -6.912 16.978 1.00 0.00 N ATOM 0 H ARG A 64 -10.281 -11.214 11.306 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.968 -8.557 10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.626 -9.579 12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.337 -9.355 13.244 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.259 -7.056 11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.141 -7.490 12.957 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.170 -6.827 12.897 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.429 -5.671 13.286 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.452 -8.128 14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.213 -4.821 14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.987 -4.630 16.345 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.174 -7.858 17.133 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.528 -6.342 17.770 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.611 -9.761 12.313 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.249 -9.539 12.755 1.00 0.00 C ATOM 1079 C GLN A 65 -5.360 -9.145 11.577 1.00 0.00 C ATOM 1080 O GLN A 65 -4.601 -8.175 11.651 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.748 -10.824 13.417 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.353 -10.745 13.995 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.263 -11.134 13.004 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.708 -10.291 12.298 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.948 -12.417 12.939 1.00 0.00 N ATOM 0 H GLN A 65 -7.978 -10.686 12.537 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.215 -8.719 13.473 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.440 -11.098 14.214 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.775 -11.628 12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.170 -9.729 14.344 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.291 -11.398 14.866 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.426 -13.091 13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.227 -12.733 12.291 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.488 -9.878 10.478 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.713 -9.594 9.281 1.00 0.00 C ATOM 1096 C VAL A 66 -5.117 -8.244 8.700 1.00 0.00 C ATOM 1097 O VAL A 66 -4.267 -7.395 8.430 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.895 -10.692 8.211 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.055 -10.390 6.978 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.536 -12.056 8.777 1.00 0.00 C ATOM 0 H VAL A 66 -6.121 -10.673 10.393 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.662 -9.570 9.569 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.944 -10.706 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.199 -11.177 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.361 -9.433 6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.002 -10.343 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.671 -12.816 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.496 -12.052 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.183 -12.280 9.625 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.421 -8.053 8.540 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.963 -6.822 7.982 1.00 0.00 C ATOM 1112 C ILE A 67 -6.596 -5.612 8.842 1.00 0.00 C ATOM 1113 O ILE A 67 -6.155 -4.593 8.325 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.504 -6.905 7.845 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.888 -7.998 6.844 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.078 -5.562 7.415 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.384 -8.196 6.703 1.00 0.00 C ATOM 0 H ILE A 67 -7.128 -8.743 8.792 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.522 -6.698 6.993 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.925 -7.159 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.470 -7.749 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.433 -8.939 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.161 -5.642 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.831 -4.805 8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.654 -5.276 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.580 -8.986 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.806 -8.477 7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.843 -7.268 6.362 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.762 -5.748 10.153 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.548 -4.644 11.091 1.00 0.00 C ATOM 1131 C ASP A 68 -5.102 -4.170 11.090 1.00 0.00 C ATOM 1132 O ASP A 68 -4.842 -2.967 11.022 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.940 -5.070 12.512 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.876 -3.926 13.505 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.890 -3.213 13.660 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.817 -3.740 14.141 1.00 0.00 O ATOM 0 H ASP A 68 -7.047 -6.621 10.597 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.178 -3.817 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.951 -5.478 12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.278 -5.870 12.843 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.156 -5.101 11.168 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.752 -4.719 11.220 1.00 0.00 C ATOM 1143 C LYS A 69 -2.294 -4.163 9.875 1.00 0.00 C ATOM 1144 O LYS A 69 -1.446 -3.277 9.826 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.855 -5.878 11.681 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.636 -6.978 10.658 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.574 -7.952 11.145 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.215 -8.982 10.091 1.00 0.00 C ATOM 1149 NZ LYS A 69 -1.341 -9.906 9.804 1.00 0.00 N ATOM 0 H LYS A 69 -4.332 -6.105 11.196 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.655 -3.930 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.884 -5.472 11.967 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.292 -6.320 12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.571 -7.509 10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.330 -6.543 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.321 -7.399 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.933 -8.460 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.078 -8.473 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.648 -9.557 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.965 -10.832 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.924 -10.018 10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.923 -9.516 9.036 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.862 -4.673 8.785 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.591 -4.117 7.465 1.00 0.00 C ATOM 1165 C ILE A 70 -3.247 -2.743 7.335 1.00 0.00 C ATOM 1166 O ILE A 70 -2.659 -1.818 6.794 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.060 -5.062 6.333 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.141 -6.289 6.277 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.085 -4.340 4.989 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.444 -7.238 5.138 1.00 0.00 C ATOM 0 H ILE A 70 -3.507 -5.463 8.790 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.512 -4.008 7.361 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.078 -5.388 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.108 -5.952 6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.220 -6.832 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.418 -5.028 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.771 -3.494 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.084 -3.981 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.750 -8.078 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.465 -7.607 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.335 -6.713 4.189 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.455 -2.620 7.871 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.156 -1.338 7.942 1.00 0.00 C ATOM 1184 C LEU A 71 -4.317 -0.306 8.682 1.00 0.00 C ATOM 1185 O LEU A 71 -4.107 0.808 8.201 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.488 -1.531 8.672 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.709 -1.701 7.778 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.933 -2.019 8.619 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.939 -0.444 6.957 1.00 0.00 C ATOM 0 H LEU A 71 -4.977 -3.401 8.268 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.334 -0.978 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.406 -2.407 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.653 -0.672 9.323 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.532 -2.532 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.800 -2.138 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.764 -2.943 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.114 -1.204 9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.815 -0.579 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.102 0.402 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.066 -0.252 6.334 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.831 -0.702 9.846 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.975 0.144 10.658 1.00 0.00 C ATOM 1203 C GLU A 72 -1.681 0.435 9.902 1.00 0.00 C ATOM 1204 O GLU A 72 -1.127 1.534 9.981 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.688 -0.555 11.991 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.958 0.304 13.009 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.719 1.563 13.371 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.728 1.469 14.100 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -2.310 2.652 12.920 1.00 0.00 O ATOM 0 H GLU A 72 -4.019 -1.618 10.254 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.472 1.092 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.632 -0.886 12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.096 -1.449 11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.783 -0.281 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.980 0.578 12.612 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.220 -0.559 9.151 1.00 0.00 N ATOM 1217 CA ASP A 73 0.010 -0.436 8.382 1.00 0.00 C ATOM 1218 C ASP A 73 -0.159 0.527 7.221 1.00 0.00 C ATOM 1219 O ASP A 73 0.713 1.340 6.964 1.00 0.00 O ATOM 1220 CB ASP A 73 0.451 -1.789 7.832 1.00 0.00 C ATOM 1221 CG ASP A 73 1.916 -2.061 8.086 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.345 -2.047 9.259 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.648 -2.283 7.097 1.00 0.00 O ATOM 0 H ASP A 73 -1.683 -1.463 9.059 1.00 0.00 H new ATOM 0 HA ASP A 73 0.770 -0.052 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.147 -2.577 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.258 -1.823 6.760 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.273 0.427 6.509 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.509 1.287 5.357 1.00 0.00 C ATOM 1230 C GLU A 74 -1.598 2.752 5.792 1.00 0.00 C ATOM 1231 O GLU A 74 -1.033 3.628 5.139 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.771 0.863 4.598 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.714 -0.546 4.002 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.550 -0.787 3.042 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.893 0.182 2.597 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -1.275 -1.968 2.720 1.00 0.00 O ATOM 0 H GLU A 74 -2.023 -0.236 6.706 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.664 1.181 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.623 0.923 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.952 1.576 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.651 -1.268 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.648 -0.741 3.475 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.278 3.013 6.912 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.324 4.362 7.481 1.00 0.00 C ATOM 1245 C GLU A 75 -0.920 4.792 7.904 1.00 0.00 C ATOM 1246 O GLU A 75 -0.548 5.963 7.803 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.287 4.414 8.679 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.228 5.601 8.649 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.928 5.715 7.312 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.861 4.929 7.057 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -4.441 6.450 6.438 1.00 0.00 O ATOM 0 H GLU A 75 -2.801 2.313 7.439 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.693 5.051 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.874 3.496 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.706 4.445 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.969 5.500 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.669 6.516 8.849 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.149 3.818 8.369 1.00 0.00 N ATOM 1259 CA LYS A 76 1.247 4.026 8.736 1.00 0.00 C ATOM 1260 C LYS A 76 2.064 4.419 7.503 1.00 0.00 C ATOM 1261 O LYS A 76 2.930 5.294 7.574 1.00 0.00 O ATOM 1262 CB LYS A 76 1.796 2.736 9.354 1.00 0.00 C ATOM 1263 CG LYS A 76 3.226 2.819 9.861 1.00 0.00 C ATOM 1264 CD LYS A 76 3.750 1.434 10.223 1.00 0.00 C ATOM 1265 CE LYS A 76 2.869 0.753 11.261 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.220 -0.681 11.439 1.00 0.00 N ATOM 0 H LYS A 76 -0.473 2.860 8.503 1.00 0.00 H new ATOM 0 HA LYS A 76 1.319 4.835 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.150 2.445 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.737 1.942 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.863 3.266 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.270 3.470 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.799 0.817 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.767 1.518 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.967 1.271 12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.825 0.835 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.771 -1.043 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.882 -1.225 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.252 -0.779 11.518 1.00 0.00 H new ATOM 1280 N HIS A 77 1.772 3.769 6.376 1.00 0.00 N ATOM 1281 CA HIS A 77 2.446 4.069 5.113 1.00 0.00 C ATOM 1282 C HIS A 77 2.107 5.487 4.671 1.00 0.00 C ATOM 1283 O HIS A 77 2.984 6.274 4.316 1.00 0.00 O ATOM 1284 CB HIS A 77 2.013 3.112 3.996 1.00 0.00 C ATOM 1285 CG HIS A 77 2.202 1.658 4.288 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.467 0.667 3.678 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.049 1.030 5.146 1.00 0.00 C ATOM 1288 CE1 HIS A 77 1.872 -0.508 4.178 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.832 -0.353 5.075 1.00 0.00 N ATOM 0 H HIS A 77 1.072 3.030 6.312 1.00 0.00 H new ATOM 0 HA HIS A 77 3.516 3.956 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.959 3.288 3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.570 3.359 3.093 1.00 0.00 H new ATOM 0 HD1 HIS A 77 0.744 0.803 2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.773 1.519 5.781 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.465 -1.464 3.885 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.311 -1.083 5.602 1.00 0.00 H new ATOM 1296 N ILE A 78 0.811 5.792 4.702 1.00 0.00 N ATOM 1297 CA ILE A 78 0.300 7.088 4.285 1.00 0.00 C ATOM 1298 C ILE A 78 0.887 8.204 5.138 1.00 0.00 C ATOM 1299 O ILE A 78 1.224 9.265 4.625 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.241 7.125 4.360 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.831 6.082 3.411 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.768 8.515 4.020 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.333 5.943 3.510 1.00 0.00 C ATOM 0 H ILE A 78 0.089 5.145 5.018 1.00 0.00 H new ATOM 0 HA ILE A 78 0.602 7.243 3.249 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.546 6.890 5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.567 6.347 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.372 5.115 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.856 8.516 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.365 9.240 4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.460 8.784 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.675 5.184 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.605 5.647 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.803 6.897 3.272 1.00 0.00 H new ATOM 1315 N GLU A 79 1.028 7.951 6.438 1.00 0.00 N ATOM 1316 CA GLU A 79 1.609 8.929 7.356 1.00 0.00 C ATOM 1317 C GLU A 79 3.009 9.342 6.888 1.00 0.00 C ATOM 1318 O GLU A 79 3.422 10.489 7.069 1.00 0.00 O ATOM 1319 CB GLU A 79 1.671 8.348 8.775 1.00 0.00 C ATOM 1320 CG GLU A 79 2.026 9.368 9.852 1.00 0.00 C ATOM 1321 CD GLU A 79 0.922 10.381 10.098 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.047 10.049 10.810 1.00 0.00 O ATOM 1323 OE2 GLU A 79 1.028 11.523 9.601 1.00 0.00 O ATOM 0 H GLU A 79 0.747 7.076 6.880 1.00 0.00 H new ATOM 0 HA GLU A 79 0.975 9.816 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.706 7.903 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.407 7.544 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.245 8.844 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.935 9.894 9.561 1.00 0.00 H new ATOM 1330 N TRP A 80 3.736 8.405 6.279 1.00 0.00 N ATOM 1331 CA TRP A 80 5.044 8.710 5.710 1.00 0.00 C ATOM 1332 C TRP A 80 4.901 9.574 4.458 1.00 0.00 C ATOM 1333 O TRP A 80 5.435 10.681 4.398 1.00 0.00 O ATOM 1334 CB TRP A 80 5.811 7.424 5.375 1.00 0.00 C ATOM 1335 CG TRP A 80 7.015 7.650 4.506 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.314 6.983 3.358 1.00 0.00 C ATOM 1337 CD2 TRP A 80 8.065 8.610 4.699 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.484 7.465 2.821 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.966 8.463 3.625 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.332 9.580 5.672 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.109 9.247 3.499 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.469 10.355 5.546 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.344 10.187 4.465 1.00 0.00 C ATOM 0 H TRP A 80 3.442 7.435 6.169 1.00 0.00 H new ATOM 0 HA TRP A 80 5.610 9.266 6.457 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.128 6.948 6.303 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.137 6.729 4.874 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.718 6.190 2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.922 7.133 1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.661 9.720 6.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.787 9.118 2.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.687 11.103 6.294 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.222 10.812 4.393 1.00 0.00 H new ATOM 1354 N HIS A 81 4.164 9.070 3.470 1.00 0.00 N ATOM 1355 CA HIS A 81 3.974 9.779 2.202 1.00 0.00 C ATOM 1356 C HIS A 81 3.367 11.165 2.424 1.00 0.00 C ATOM 1357 O HIS A 81 3.653 12.112 1.691 1.00 0.00 O ATOM 1358 CB HIS A 81 3.100 8.949 1.256 1.00 0.00 C ATOM 1359 CG HIS A 81 3.820 7.776 0.661 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.724 7.888 -0.370 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.793 6.453 0.988 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.209 6.671 -0.636 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.680 5.763 0.160 1.00 0.00 N ATOM 0 H HIS A 81 3.686 8.170 3.522 1.00 0.00 H new ATOM 0 HA HIS A 81 4.953 9.918 1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.225 8.592 1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.736 9.589 0.452 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.980 8.751 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.184 6.010 1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.939 6.459 -1.403 1.00 0.00 H new ATOM 1371 N LYS A 82 2.540 11.265 3.446 1.00 0.00 N ATOM 1372 CA LYS A 82 1.934 12.521 3.851 1.00 0.00 C ATOM 1373 C LYS A 82 2.993 13.506 4.353 1.00 0.00 C ATOM 1374 O LYS A 82 3.026 14.660 3.932 1.00 0.00 O ATOM 1375 CB LYS A 82 0.899 12.222 4.936 1.00 0.00 C ATOM 1376 CG LYS A 82 0.476 13.400 5.789 1.00 0.00 C ATOM 1377 CD LYS A 82 -0.361 12.905 6.952 1.00 0.00 C ATOM 1378 CE LYS A 82 -0.551 13.959 8.022 1.00 0.00 C ATOM 1379 NZ LYS A 82 -1.071 13.351 9.273 1.00 0.00 N ATOM 0 H LYS A 82 2.267 10.471 4.025 1.00 0.00 H new ATOM 0 HA LYS A 82 1.447 12.991 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.011 11.806 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.301 11.449 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.354 13.930 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.096 14.109 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.336 12.587 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.116 12.029 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.398 14.457 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.244 14.723 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.162 14.085 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.003 12.926 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.413 12.615 9.601 1.00 0.00 H new ATOM 1393 N ALA A 83 3.873 13.038 5.230 1.00 0.00 N ATOM 1394 CA ALA A 83 4.913 13.891 5.801 1.00 0.00 C ATOM 1395 C ALA A 83 5.982 14.236 4.769 1.00 0.00 C ATOM 1396 O ALA A 83 6.552 15.328 4.788 1.00 0.00 O ATOM 1397 CB ALA A 83 5.544 13.217 7.009 1.00 0.00 C ATOM 0 H ALA A 83 3.889 12.074 5.562 1.00 0.00 H new ATOM 0 HA ALA A 83 4.443 14.822 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.317 13.864 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.780 13.034 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.988 12.269 6.706 1.00 0.00 H new ATOM 1403 N ALA A 84 6.245 13.303 3.867 1.00 0.00 N ATOM 1404 CA ALA A 84 7.256 13.487 2.834 1.00 0.00 C ATOM 1405 C ALA A 84 6.775 14.442 1.746 1.00 0.00 C ATOM 1406 O ALA A 84 7.557 14.884 0.908 1.00 0.00 O ATOM 1407 CB ALA A 84 7.636 12.147 2.225 1.00 0.00 C ATOM 0 H ALA A 84 5.768 12.402 3.829 1.00 0.00 H new ATOM 0 HA ALA A 84 8.135 13.929 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.392 12.299 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.035 11.494 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.754 11.686 1.781 1.00 0.00 H new ATOM 1484 N ALA A 90 14.806 12.860 -2.922 1.00 0.00 N ATOM 1485 CA ALA A 90 14.597 11.842 -3.940 1.00 0.00 C ATOM 1486 C ALA A 90 15.210 10.503 -3.539 1.00 0.00 C ATOM 1487 O ALA A 90 14.497 9.520 -3.380 1.00 0.00 O ATOM 1488 CB ALA A 90 15.160 12.306 -5.277 1.00 0.00 C ATOM 0 HA ALA A 90 13.522 11.693 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.996 11.534 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.658 13.224 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.229 12.493 -5.176 1.00 0.00 H new ATOM 1494 N GLU A 91 16.527 10.474 -3.349 1.00 0.00 N ATOM 1495 CA GLU A 91 17.241 9.220 -3.110 1.00 0.00 C ATOM 1496 C GLU A 91 16.885 8.626 -1.746 1.00 0.00 C ATOM 1497 O GLU A 91 16.550 7.444 -1.638 1.00 0.00 O ATOM 1498 CB GLU A 91 18.753 9.451 -3.214 1.00 0.00 C ATOM 1499 CG GLU A 91 19.591 8.195 -3.022 1.00 0.00 C ATOM 1500 CD GLU A 91 19.328 7.139 -4.080 1.00 0.00 C ATOM 1501 OE1 GLU A 91 19.946 7.205 -5.165 1.00 0.00 O ATOM 1502 OE2 GLU A 91 18.522 6.225 -3.825 1.00 0.00 O ATOM 0 H GLU A 91 17.122 11.303 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 91 16.934 8.504 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.978 9.878 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.049 10.189 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.647 8.464 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.385 7.774 -2.038 1.00 0.00 H new ATOM 1509 N GLN A 92 16.927 9.449 -0.707 1.00 0.00 N ATOM 1510 CA GLN A 92 16.602 8.982 0.637 1.00 0.00 C ATOM 1511 C GLN A 92 15.115 8.660 0.739 1.00 0.00 C ATOM 1512 O GLN A 92 14.717 7.709 1.407 1.00 0.00 O ATOM 1513 CB GLN A 92 17.017 10.012 1.690 1.00 0.00 C ATOM 1514 CG GLN A 92 18.522 10.224 1.757 1.00 0.00 C ATOM 1515 CD GLN A 92 18.929 11.233 2.811 1.00 0.00 C ATOM 1516 OE1 GLN A 92 18.189 12.168 3.113 1.00 0.00 O ATOM 1517 NE2 GLN A 92 20.111 11.051 3.374 1.00 0.00 N ATOM 0 H GLN A 92 17.180 10.435 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 92 17.164 8.069 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.532 10.963 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.658 9.689 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 92 19.009 9.271 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.880 10.559 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.693 10.262 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.441 11.700 4.089 1.00 0.00 H new ATOM 1526 N PHE A 93 14.307 9.450 0.046 1.00 0.00 N ATOM 1527 CA PHE A 93 12.875 9.204 -0.049 1.00 0.00 C ATOM 1528 C PHE A 93 12.611 7.872 -0.749 1.00 0.00 C ATOM 1529 O PHE A 93 11.854 7.042 -0.247 1.00 0.00 O ATOM 1530 CB PHE A 93 12.213 10.369 -0.799 1.00 0.00 C ATOM 1531 CG PHE A 93 10.816 10.106 -1.296 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.738 10.066 -0.426 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.586 9.909 -2.650 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.458 9.835 -0.899 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.312 9.681 -3.126 1.00 0.00 C ATOM 1536 CZ PHE A 93 8.247 9.641 -2.252 1.00 0.00 C ATOM 0 H PHE A 93 14.623 10.275 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 93 12.445 9.141 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.189 11.236 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.840 10.634 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.898 10.217 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.416 9.935 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.625 9.806 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.149 9.534 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.249 9.458 -2.623 1.00 0.00 H new ATOM 1546 N ALA A 94 13.265 7.664 -1.888 1.00 0.00 N ATOM 1547 CA ALA A 94 13.119 6.433 -2.653 1.00 0.00 C ATOM 1548 C ALA A 94 13.522 5.221 -1.826 1.00 0.00 C ATOM 1549 O ALA A 94 12.878 4.180 -1.893 1.00 0.00 O ATOM 1550 CB ALA A 94 13.949 6.494 -3.924 1.00 0.00 C ATOM 0 H ALA A 94 13.906 8.340 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 94 12.067 6.331 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.828 5.566 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.616 7.332 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.000 6.628 -3.666 1.00 0.00 H new ATOM 1556 N SER A 95 14.584 5.373 -1.039 1.00 0.00 N ATOM 1557 CA SER A 95 15.060 4.300 -0.173 1.00 0.00 C ATOM 1558 C SER A 95 13.949 3.847 0.775 1.00 0.00 C ATOM 1559 O SER A 95 13.724 2.648 0.964 1.00 0.00 O ATOM 1560 CB SER A 95 16.280 4.769 0.627 1.00 0.00 C ATOM 1561 OG SER A 95 17.310 5.238 -0.233 1.00 0.00 O ATOM 0 H SER A 95 15.132 6.232 -0.984 1.00 0.00 H new ATOM 0 HA SER A 95 15.351 3.454 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.985 5.564 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.657 3.947 1.235 1.00 0.00 H new ATOM 0 HG SER A 95 17.059 6.113 -0.597 1.00 0.00 H new ATOM 1567 N LEU A 96 13.244 4.813 1.354 1.00 0.00 N ATOM 1568 CA LEU A 96 12.133 4.517 2.247 1.00 0.00 C ATOM 1569 C LEU A 96 10.919 4.001 1.474 1.00 0.00 C ATOM 1570 O LEU A 96 10.161 3.175 1.977 1.00 0.00 O ATOM 1571 CB LEU A 96 11.763 5.745 3.085 1.00 0.00 C ATOM 1572 CG LEU A 96 12.541 5.887 4.401 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.985 6.281 4.144 1.00 0.00 C ATOM 1574 CD2 LEU A 96 11.871 6.894 5.322 1.00 0.00 C ATOM 0 H LEU A 96 13.424 5.808 1.220 1.00 0.00 H new ATOM 0 HA LEU A 96 12.456 3.726 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.927 6.640 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.698 5.704 3.312 1.00 0.00 H new ATOM 0 HG LEU A 96 12.537 4.915 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.511 6.374 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.468 5.517 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.014 7.235 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.441 6.976 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.833 7.867 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.858 6.562 5.549 1.00 0.00 H new ATOM 1586 N VAL A 97 10.735 4.491 0.252 1.00 0.00 N ATOM 1587 CA VAL A 97 9.669 3.995 -0.615 1.00 0.00 C ATOM 1588 C VAL A 97 9.890 2.518 -0.932 1.00 0.00 C ATOM 1589 O VAL A 97 8.944 1.738 -0.990 1.00 0.00 O ATOM 1590 CB VAL A 97 9.574 4.802 -1.930 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.546 4.198 -2.874 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.227 6.250 -1.638 1.00 0.00 C ATOM 0 H VAL A 97 11.307 5.228 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 97 8.729 4.117 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 97 10.548 4.762 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.502 4.788 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.831 3.174 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.567 4.199 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.164 6.805 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.268 6.297 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.000 6.689 -1.007 1.00 0.00 H new ATOM 1602 N GLN A 98 11.149 2.137 -1.118 1.00 0.00 N ATOM 1603 CA GLN A 98 11.500 0.742 -1.365 1.00 0.00 C ATOM 1604 C GLN A 98 11.061 -0.136 -0.197 1.00 0.00 C ATOM 1605 O GLN A 98 10.669 -1.287 -0.391 1.00 0.00 O ATOM 1606 CB GLN A 98 13.002 0.596 -1.617 1.00 0.00 C ATOM 1607 CG GLN A 98 13.477 1.330 -2.860 1.00 0.00 C ATOM 1608 CD GLN A 98 14.958 1.145 -3.120 1.00 0.00 C ATOM 1609 OE1 GLN A 98 15.749 0.961 -2.198 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.343 1.199 -4.385 1.00 0.00 N ATOM 0 H GLN A 98 11.945 2.775 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 98 10.973 0.411 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.547 0.972 -0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.246 -0.462 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.914 0.975 -3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.261 2.393 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.654 1.354 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.328 1.086 -4.623 1.00 0.00 H new ATOM 1619 N GLN A 99 11.104 0.419 1.014 1.00 0.00 N ATOM 1620 CA GLN A 99 10.619 -0.287 2.196 1.00 0.00 C ATOM 1621 C GLN A 99 9.116 -0.542 2.085 1.00 0.00 C ATOM 1622 O GLN A 99 8.627 -1.582 2.515 1.00 0.00 O ATOM 1623 CB GLN A 99 10.921 0.500 3.475 1.00 0.00 C ATOM 1624 CG GLN A 99 12.398 0.561 3.830 1.00 0.00 C ATOM 1625 CD GLN A 99 12.657 1.305 5.128 1.00 0.00 C ATOM 1626 OE1 GLN A 99 11.938 2.238 5.480 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.673 0.876 5.859 1.00 0.00 N ATOM 0 H GLN A 99 11.469 1.353 1.200 1.00 0.00 H new ATOM 0 HA GLN A 99 11.141 -1.242 2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.543 1.516 3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.377 0.048 4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.790 -0.453 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.942 1.049 3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.245 0.098 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.884 1.323 6.751 1.00 0.00 H new ATOM 1636 N HIS A 100 8.394 0.414 1.501 1.00 0.00 N ATOM 1637 CA HIS A 100 6.957 0.268 1.265 1.00 0.00 C ATOM 1638 C HIS A 100 6.717 -0.878 0.278 1.00 0.00 C ATOM 1639 O HIS A 100 5.804 -1.681 0.458 1.00 0.00 O ATOM 1640 CB HIS A 100 6.385 1.587 0.717 1.00 0.00 C ATOM 1641 CG HIS A 100 4.889 1.749 0.826 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.253 2.956 0.651 1.00 0.00 N ATOM 1643 CD2 HIS A 100 3.904 0.846 1.088 1.00 0.00 C ATOM 1644 CE1 HIS A 100 2.941 2.769 0.808 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.664 1.499 1.075 1.00 0.00 N ATOM 0 H HIS A 100 8.782 1.301 1.181 1.00 0.00 H new ATOM 0 HA HIS A 100 6.451 0.035 2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.860 2.414 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.666 1.675 -0.333 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.707 3.844 0.437 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.055 -0.207 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.200 3.551 0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.745 1.086 1.236 1.00 0.00 H new ATOM 1653 N LEU A 101 7.563 -0.954 -0.750 1.00 0.00 N ATOM 1654 CA LEU A 101 7.492 -2.035 -1.732 1.00 0.00 C ATOM 1655 C LEU A 101 7.686 -3.390 -1.064 1.00 0.00 C ATOM 1656 O LEU A 101 6.912 -4.319 -1.288 1.00 0.00 O ATOM 1657 CB LEU A 101 8.553 -1.846 -2.823 1.00 0.00 C ATOM 1658 CG LEU A 101 8.146 -0.987 -4.026 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.890 -1.545 -4.679 1.00 0.00 C ATOM 1660 CD2 LEU A 101 7.947 0.465 -3.623 1.00 0.00 C ATOM 0 H LEU A 101 8.307 -0.278 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 101 6.502 -2.004 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.436 -1.399 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.846 -2.830 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 101 8.957 -1.020 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.616 -0.923 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.078 -2.563 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.075 -1.549 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.659 1.049 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.162 0.529 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.877 0.860 -3.213 1.00 0.00 H new ATOM 1672 N GLN A 102 8.722 -3.493 -0.239 1.00 0.00 N ATOM 1673 CA GLN A 102 9.021 -4.726 0.472 1.00 0.00 C ATOM 1674 C GLN A 102 7.898 -5.059 1.448 1.00 0.00 C ATOM 1675 O GLN A 102 7.554 -6.222 1.651 1.00 0.00 O ATOM 1676 CB GLN A 102 10.340 -4.578 1.237 1.00 0.00 C ATOM 1677 CG GLN A 102 11.540 -4.200 0.371 1.00 0.00 C ATOM 1678 CD GLN A 102 12.023 -5.327 -0.532 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.247 -6.168 -0.977 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.321 -5.348 -0.800 1.00 0.00 N ATOM 0 H GLN A 102 9.372 -2.731 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 102 9.111 -5.535 -0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.213 -3.820 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.557 -5.518 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.276 -3.341 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.360 -3.888 1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.934 -4.631 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.707 -6.081 -1.395 1.00 0.00 H new ATOM 1689 N ASP A 103 7.326 -4.019 2.039 1.00 0.00 N ATOM 1690 CA ASP A 103 6.278 -4.171 3.040 1.00 0.00 C ATOM 1691 C ASP A 103 4.991 -4.721 2.436 1.00 0.00 C ATOM 1692 O ASP A 103 4.418 -5.683 2.953 1.00 0.00 O ATOM 1693 CB ASP A 103 6.000 -2.821 3.701 1.00 0.00 C ATOM 1694 CG ASP A 103 4.764 -2.835 4.572 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.642 -2.761 4.071 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.855 -2.887 5.797 1.00 0.00 O ATOM 0 H ASP A 103 7.574 -3.050 1.840 1.00 0.00 H new ATOM 0 HA ASP A 103 6.629 -4.887 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.861 -2.534 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.885 -2.061 2.928 1.00 0.00 H new ATOM 1701 N GLU A 104 4.538 -4.116 1.340 1.00 0.00 N ATOM 1702 CA GLU A 104 3.282 -4.518 0.716 1.00 0.00 C ATOM 1703 C GLU A 104 3.379 -5.946 0.186 1.00 0.00 C ATOM 1704 O GLU A 104 2.365 -6.612 -0.013 1.00 0.00 O ATOM 1705 CB GLU A 104 2.887 -3.555 -0.411 1.00 0.00 C ATOM 1706 CG GLU A 104 2.652 -2.114 0.042 1.00 0.00 C ATOM 1707 CD GLU A 104 1.409 -1.921 0.901 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.774 -2.922 1.313 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.053 -0.749 1.184 1.00 0.00 O ATOM 0 H GLU A 104 5.020 -3.350 0.869 1.00 0.00 H new ATOM 0 HA GLU A 104 2.504 -4.480 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.670 -3.561 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.979 -3.926 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.523 -1.775 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.573 -1.477 -0.839 1.00 0.00 H new ATOM 1716 N GLN A 105 4.606 -6.415 -0.026 1.00 0.00 N ATOM 1717 CA GLN A 105 4.830 -7.796 -0.438 1.00 0.00 C ATOM 1718 C GLN A 105 4.351 -8.759 0.641 1.00 0.00 C ATOM 1719 O GLN A 105 3.639 -9.715 0.343 1.00 0.00 O ATOM 1720 CB GLN A 105 6.306 -8.046 -0.741 1.00 0.00 C ATOM 1721 CG GLN A 105 6.809 -7.292 -1.958 1.00 0.00 C ATOM 1722 CD GLN A 105 8.299 -7.453 -2.170 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.881 -8.487 -1.840 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.931 -6.427 -2.713 1.00 0.00 N ATOM 0 H GLN A 105 5.456 -5.861 0.080 1.00 0.00 H new ATOM 0 HA GLN A 105 4.257 -7.970 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.901 -7.759 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.462 -9.114 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.280 -7.645 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.574 -6.233 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.412 -5.588 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.937 -6.474 -2.873 1.00 0.00 H new ATOM 1733 N ARG A 106 4.719 -8.495 1.896 1.00 0.00 N ATOM 1734 CA ARG A 106 4.268 -9.334 3.003 1.00 0.00 C ATOM 1735 C ARG A 106 2.761 -9.222 3.168 1.00 0.00 C ATOM 1736 O ARG A 106 2.093 -10.187 3.546 1.00 0.00 O ATOM 1737 CB ARG A 106 4.945 -8.962 4.326 1.00 0.00 C ATOM 1738 CG ARG A 106 4.437 -9.813 5.481 1.00 0.00 C ATOM 1739 CD ARG A 106 5.013 -9.401 6.820 1.00 0.00 C ATOM 1740 NE ARG A 106 4.415 -10.181 7.902 1.00 0.00 N ATOM 1741 CZ ARG A 106 5.115 -10.893 8.786 1.00 0.00 C ATOM 1742 NH1 ARG A 106 6.443 -10.862 8.774 1.00 0.00 N ATOM 1743 NH2 ARG A 106 4.485 -11.624 9.695 1.00 0.00 N ATOM 0 H ARG A 106 5.320 -7.717 2.167 1.00 0.00 H new ATOM 0 HA ARG A 106 4.545 -10.359 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.024 -9.087 4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.764 -7.909 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.350 -9.746 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.685 -10.857 5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.094 -9.544 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.833 -8.339 6.988 1.00 0.00 H new ATOM 0 HE ARG A 106 3.398 -10.181 7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.934 -10.291 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.972 -11.409 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.465 -11.642 9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.020 -12.169 10.371 1.00 0.00 H new ATOM 1757 N HIS A 107 2.230 -8.042 2.867 1.00 0.00 N ATOM 1758 CA HIS A 107 0.793 -7.823 2.929 1.00 0.00 C ATOM 1759 C HIS A 107 0.093 -8.813 1.999 1.00 0.00 C ATOM 1760 O HIS A 107 -0.909 -9.429 2.360 1.00 0.00 O ATOM 1761 CB HIS A 107 0.440 -6.380 2.537 1.00 0.00 C ATOM 1762 CG HIS A 107 0.747 -5.358 3.596 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.066 -4.160 3.740 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.682 -5.376 4.578 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.602 -3.510 4.791 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.594 -4.198 5.330 1.00 0.00 N ATOM 0 H HIS A 107 2.772 -7.227 2.579 1.00 0.00 H new ATOM 0 HA HIS A 107 0.454 -7.982 3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.984 -6.119 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.622 -6.330 2.298 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.702 -3.830 3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.386 -6.176 4.753 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.264 -2.548 5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.173 -3.928 6.125 1.00 0.00 H new ATOM 1773 N VAL A 108 0.653 -8.967 0.801 1.00 0.00 N ATOM 1774 CA VAL A 108 0.174 -9.948 -0.167 1.00 0.00 C ATOM 1775 C VAL A 108 0.470 -11.380 0.297 1.00 0.00 C ATOM 1776 O VAL A 108 -0.388 -12.263 0.195 1.00 0.00 O ATOM 1777 CB VAL A 108 0.805 -9.714 -1.560 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.295 -10.736 -2.565 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.518 -8.301 -2.045 1.00 0.00 C ATOM 0 H VAL A 108 1.448 -8.417 0.476 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.906 -9.820 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 108 1.884 -9.837 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.753 -10.551 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.554 -11.739 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.788 -10.651 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.969 -8.154 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.560 -8.152 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.938 -7.582 -1.341 1.00 0.00 H new ATOM 1789 N GLU A 109 1.684 -11.603 0.808 1.00 0.00 N ATOM 1790 CA GLU A 109 2.122 -12.937 1.233 1.00 0.00 C ATOM 1791 C GLU A 109 1.200 -13.529 2.295 1.00 0.00 C ATOM 1792 O GLU A 109 0.921 -14.727 2.289 1.00 0.00 O ATOM 1793 CB GLU A 109 3.560 -12.906 1.766 1.00 0.00 C ATOM 1794 CG GLU A 109 4.610 -12.602 0.707 1.00 0.00 C ATOM 1795 CD GLU A 109 6.025 -12.750 1.232 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.510 -11.833 1.928 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.662 -13.789 0.954 1.00 0.00 O ATOM 0 H GLU A 109 2.385 -10.873 0.938 1.00 0.00 H new ATOM 0 HA GLU A 109 2.081 -13.573 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.627 -12.157 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.788 -13.870 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.469 -13.271 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.467 -11.586 0.339 1.00 0.00 H new ATOM 1804 N GLU A 110 0.732 -12.701 3.214 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.166 -13.171 4.256 1.00 0.00 C ATOM 1806 C GLU A 110 -1.542 -13.527 3.692 1.00 0.00 C ATOM 1807 O GLU A 110 -2.247 -14.368 4.251 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.272 -12.154 5.394 1.00 0.00 C ATOM 1809 CG GLU A 110 1.012 -12.056 6.213 1.00 0.00 C ATOM 1810 CD GLU A 110 0.844 -11.292 7.512 1.00 0.00 C ATOM 1811 OE1 GLU A 110 -0.016 -11.688 8.335 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.592 -10.319 7.739 1.00 0.00 O ATOM 0 H GLU A 110 0.957 -11.707 3.260 1.00 0.00 H new ATOM 0 HA GLU A 110 0.259 -14.085 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.511 -11.174 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.097 -12.432 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.369 -13.061 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.781 -11.570 5.612 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.927 -12.884 2.593 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.220 -13.152 1.971 1.00 0.00 C ATOM 1821 C ILE A 111 -3.155 -14.370 1.039 1.00 0.00 C ATOM 1822 O ILE A 111 -3.651 -15.447 1.375 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.738 -11.939 1.165 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.740 -10.665 2.019 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.137 -12.221 0.629 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.702 -10.697 3.186 1.00 0.00 C ATOM 0 H ILE A 111 -1.366 -12.178 2.117 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.911 -13.356 2.789 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.063 -11.778 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.733 -10.495 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.988 -9.816 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.490 -11.359 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.108 -13.095 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.814 -12.411 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.639 -9.758 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.718 -10.833 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.443 -11.523 3.848 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.529 -14.200 -0.127 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.518 -15.239 -1.150 1.00 0.00 C ATOM 1840 C GLU A 112 -1.168 -15.948 -1.229 1.00 0.00 C ATOM 1841 O GLU A 112 -0.842 -16.558 -2.251 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.866 -14.643 -2.514 1.00 0.00 C ATOM 1843 CG GLU A 112 -1.971 -13.493 -2.940 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.096 -13.185 -4.420 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -3.228 -13.200 -4.947 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -1.061 -12.946 -5.070 1.00 0.00 O ATOM 0 H GLU A 112 -2.024 -13.352 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.269 -15.977 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.810 -15.430 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.899 -14.296 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.226 -12.604 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -0.934 -13.737 -2.708 1.00 0.00 H new